![O-Methyl bis[(aziridin-1-yl)]phosphinothioate structure](/static/products/1316/13163-99-0.webp)
O-Methyl bis[(aziridin-1-yl)]phosphinothioate
TL;DR: O-Methyl bis[(aziridin-1-yl)]phosphinothioate (CAS 13163-99-0) is a chemical compound with molecular formula C5H11N2OPS and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(aziridin-1-yl)-methoxy-sulfanylidene-λ5-phosphane
Also Known As: Thiotepa Impurity 23, Phosphinothioic acid, O-methyl ester, bis(aziridin-1-yl)-methoxy-sulfanylidene-, O-Methyl bis[(aziridin-1-yl)]phosphinothioate, O-methyl di(aziridin-1-yl)phosphinothioate
| Molecular Formula | C5H11N2OPS |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.03297 |
| Heavy Atoms | 10 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 13163-99-0 |
|---|---|
| SMILES | COP(=S)(N1CC1)N2CC2 |
| InChIKey | XVFVWPOKYDEGKY-UHFFFAOYSA-N |
Product Overview
O-Methyl bis[(aziridin-1-yl)]phosphinothioate (CAS 13163-99-0), with molecular formula C5H11N2OPS and molecular weight 178.03 g/mol. IUPAC: bis(aziridin-1-yl)-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Methyl bis[(aziridin-1-yl)]phosphinothioate
Property Insights of O-Methyl bis[(aziridin-1-yl)]phosphinothioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methyl bis[(aziridin-1-yl)]phosphinothioate. With a topological polar surface area (TPSA) of 47.3 Ų, O-Methyl bis[(aziridin-1-yl)]phosphinothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methyl bis[(aziridin-1-yl)]phosphinothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Methyl bis[(aziridin-1-yl)]phosphinothioate?
The CAS number of O-Methyl bis[(aziridin-1-yl)]phosphinothioate is 13163-99-0.
What is the molecular formula of O-Methyl bis[(aziridin-1-yl)]phosphinothioate?
The molecular formula of O-Methyl bis[(aziridin-1-yl)]phosphinothioate is C5H11N2OPS.
What is the molecular weight of O-Methyl bis[(aziridin-1-yl)]phosphinothioate?
The molecular weight of O-Methyl bis[(aziridin-1-yl)]phosphinothioate is 178.03 g/mol.
Where can I buy O-Methyl bis[(aziridin-1-yl)]phosphinothioate?
You can request a quote for O-Methyl bis[(aziridin-1-yl)]phosphinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl bis[(aziridin-1-yl)]phosphinothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl bis[(aziridin-1-yl)]phosphinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.